Structural Deformation Energy Modulation Strategy in a Soft Porous Coordination Polymer with Interpenetrated Framework

To achieve unique molecular recognition, rational control of flexibility of porous coordination polymers (PCPs) is highly sought; however, remains exclusive. From a thermodynamic perspective, the competitive relationship between the structural deformation energy ( Edef ) of soft PCPs and the guest interaction is key for selective guest-triggered structural transformation behavior. Therefore, it is vital to investigate and control the E def to regulate this competition for flexibility control. Driven by these theoretical insights, herein, we demonstrate a E def modulation strategy via encoding inter-framework hydrogen bonds into a soft PCP with an interpenetrated structure. As a proof of this concept, the enhanced Edef of PCP enables selective gate-opening behavior toward CHCl3 over CH2Cl2 by changing the adsorption energy landscape of the compounds. This study provides a new direction for the design of functional soft porous materials.